Mosunetuzumab / 4k7p

A4DAB171_4k7p_Y_X | Source PDB: 4k7p | Chains: Y, X | Done
98.24
Yes
10 Å
Yes
Avg A4D Score
-0.6659
Max Score
1.6959
Min Score
-3.8577
Total Score
-287.69
Score CDR
-0.0795
Score non-CDR
-0.7393

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGYTFTSYNMHWVRQAPGKGLEWVGAIYPGNGATSYNQKFKGRFTISVDKSKNTLYLQMNSLRAEDTAVYYCARVVYYSASYWYFDVWGQGTLVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQMTQSPSSLSASVGDRVTITCRASSSVSYLHWYQQKPGKAPKPLIYAPSNLASGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQWAFNPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) Y (Heavy), X (Light)
Distance of Aggregation 10 Å
FoldX Energy Minimization Yes
pH Calculations Yes
Downloads Download all data (.tar.gz)

Aggrescan4D Profile

Aggregation-prone (score > 0)
Soluble (score < 0)
Buried (score = 0)

Per-Residue A4D Scores

Download CSV
Minimum Score -3.8577
Maximum Score 1.6959
Average Score -0.6659
Total Score -287.6902

Residues with A4D score > 0.0 are highlighted as aggregation-prone.

Index Residue Chain A4D Score Classification
1 E Y -2.1900 Soluble
2 V Y -1.3742 Soluble
3 Q Y -1.4890 Soluble
4 L Y 0.0000 Buried
5 V Y 0.5949 Aggregation-prone
6 E Y 0.0000 Buried
7 S Y -0.4704 Soluble
8 G Y -0.8322 Soluble
9 G Y -0.7485 Soluble
11 G Y -0.3553 Soluble
12 L Y -0.1123 Soluble
13 V Y 0.0000 Buried
14 Q Y -1.6544 Soluble
15 P Y -1.6996 Soluble
16 G Y -1.4219 Soluble
17 G Y -1.0810 Soluble
18 S Y -1.2460 Soluble
19 L Y -0.9723 Soluble
20 R Y -1.9973 Soluble
21 L Y 0.0000 Buried
22 S Y -0.3592 Soluble
23 C Y 0.0000 Buried
24 A Y -0.2380 Soluble
25 A Y 0.0000 Buried
26 S Y -1.1196 Soluble
27 G Y -1.3258 Soluble
28 Y Y -0.6088 Soluble
29 T Y -0.1611 Soluble
30 F Y 0.0000 Buried
35 T Y -0.5552 Soluble
36 S Y -0.0334 Soluble
37 Y Y 0.4186 Aggregation-prone
38 N Y 0.1643 Aggregation-prone
39 M Y 0.0000 Buried
40 H Y 0.0000 Buried
41 W Y 0.0000 Buried
42 V Y 0.0000 Buried
43 R Y 0.0000 Buried
44 Q Y 0.0000 Buried
45 A Y -1.0075 Soluble
46 P Y -0.9499 Soluble
47 G Y -1.5352 Soluble
48 K Y -2.3181 Soluble
49 G Y -1.5224 Soluble
50 L Y 0.0000 Buried
51 E Y -0.7160 Soluble
52 W Y 0.0000 Buried
53 V Y 0.0000 Buried
54 G Y 0.0000 Buried
55 A Y 0.0000 Buried
56 I Y 0.0000 Buried
57 Y Y 0.0205 Aggregation-prone
58 P Y 0.0000 Buried
59 G Y -0.8369 Soluble
62 N Y -1.3767 Soluble
63 G Y -0.8810 Soluble
64 A Y -0.3341 Soluble
65 T Y -0.1388 Soluble
66 S Y -0.5057 Soluble
67 Y Y -1.1199 Soluble
68 N Y 0.0000 Buried
69 Q Y -2.9730 Soluble
70 K Y -2.8647 Soluble
71 F Y 0.0000 Buried
72 K Y -2.8988 Soluble
74 G Y -2.0222 Soluble
75 R Y -1.7114 Soluble
76 F Y 0.0000 Buried
77 T Y -0.9693 Soluble
78 I Y 0.0000 Buried
79 S Y -0.2040 Soluble
80 V Y -0.7571 Soluble
81 D Y -1.6843 Soluble
82 K Y -2.5752 Soluble
83 S Y -1.9612 Soluble
84 K Y -2.5488 Soluble
85 N Y -1.8646 Soluble
86 T Y -1.0500 Soluble
87 L Y 0.0000 Buried
88 Y Y -0.4441 Soluble
89 L Y 0.0000 Buried
90 Q Y -1.2617 Soluble
91 M Y 0.0000 Buried
92 N Y -1.4934 Soluble
93 S Y -1.2927 Soluble
94 L Y 0.0000 Buried
95 R Y -2.2841 Soluble
96 A Y -1.7303 Soluble
97 E Y -2.2020 Soluble
98 D Y 0.0000 Buried
99 T Y -0.6831 Soluble
100 A Y 0.0000 Buried
101 V Y 0.1570 Aggregation-prone
102 Y Y 0.0000 Buried
103 Y Y 0.0000 Buried
104 C Y 0.0000 Buried
105 A Y 0.0000 Buried
106 R Y 0.0000 Buried
107 V Y 0.0000 Buried
108 V Y 1.1122 Aggregation-prone
109 Y Y 1.6959 Aggregation-prone
110 Y Y 1.1605 Aggregation-prone
111 S Y 0.5603 Aggregation-prone
111A A Y 0.3345 Aggregation-prone
112A S Y 0.2843 Aggregation-prone
112 Y Y 0.8515 Aggregation-prone
113 W Y 0.0000 Buried
114 Y Y 0.6634 Aggregation-prone
115 F Y 0.0000 Buried
116 D Y 0.0405 Aggregation-prone
117 V Y -0.0039 Soluble
118 W Y -0.4399 Soluble
119 G Y 0.0000 Buried
120 Q Y -1.4560 Soluble
121 G Y -0.6633 Soluble
122 T Y -0.1841 Soluble
123 L Y -0.0672 Soluble
124 V Y 0.0000 Buried
125 T Y 0.0000 Buried
126 V Y 0.0000 Buried
127 S Y -0.9418 Soluble
128 S Y -0.7256 Soluble
129 A Y -0.4579 Soluble
130 S Y -0.5217 Soluble
131 T Y -0.5295 Soluble
132 K Y -0.9052 Soluble
133 G Y -1.2354 Soluble
134 P Y 0.0000 Buried
135 S Y -0.2427 Soluble
136 V Y 0.0000 Buried
137 F Y 0.0000 Buried
138 P Y -1.1380 Soluble
139 L Y 0.0000 Buried
140 A Y -1.1119 Soluble
141 P Y 0.0000 Buried
142 S Y -0.6969 Soluble
143 S Y -0.4935 Soluble
144 G Y -0.8080 Soluble
145 G Y -0.8564 Soluble
146 T Y -0.6280 Soluble
147 A Y -0.3385 Soluble
148 A Y 0.0000 Buried
149 L Y 0.0000 Buried
150 G Y 0.0000 Buried
151 C Y 0.0000 Buried
152 L Y 0.0000 Buried
153 V Y 0.0000 Buried
154 K Y 0.0000 Buried
155 D Y -0.2935 Soluble
156 Y Y 0.0000 Buried
157 F Y 0.0000 Buried
158 P Y 0.0000 Buried
159 E Y -0.4859 Soluble
160 P Y -0.7731 Soluble
161 V Y -0.4333 Soluble
162 T Y -0.5184 Soluble
163 V Y -0.1914 Soluble
164 S Y -0.3654 Soluble
165 W Y 0.0000 Buried
166 N Y -0.6987 Soluble
167 S Y -0.6496 Soluble
168 G Y -0.5775 Soluble
169 A Y -0.2484 Soluble
170 L Y -0.0041 Soluble
171 T Y -0.2208 Soluble
172 S Y -0.2706 Soluble
173 G Y -0.4107 Soluble
174 V Y 0.0530 Aggregation-prone
175 H Y -0.3889 Soluble
176 T Y 0.0569 Aggregation-prone
177 F Y 0.0000 Buried
178 P Y -0.2928 Soluble
179 A Y 0.3025 Aggregation-prone
180 V Y 0.5545 Aggregation-prone
181 L Y 1.3910 Aggregation-prone
182 Q Y 0.3234 Aggregation-prone
183 S Y -0.2805 Soluble
184 S Y -0.1926 Soluble
185 G Y 0.0881 Aggregation-prone
186 L Y 0.2112 Aggregation-prone
187 Y Y 0.5379 Aggregation-prone
188 S Y 0.0000 Buried
189 L Y 0.1787 Aggregation-prone
190 S Y 0.0000 Buried
191 S Y 0.0000 Buried
192 V Y 0.0000 Buried
193 V Y 0.0000 Buried
194 T Y -0.1914 Soluble
195 V Y 0.0000 Buried
196 P Y -0.6486 Soluble
197 S Y -0.6365 Soluble
198 S Y -0.5976 Soluble
199 S Y -0.6234 Soluble
200 L Y -0.7334 Soluble
201 G Y -1.0197 Soluble
202 T Y -0.7822 Soluble
203 Q Y -1.2425 Soluble
204 T Y -1.1533 Soluble
205 Y Y 0.0000 Buried
206 I Y -0.9607 Soluble
207 C Y 0.0000 Buried
208 N Y -1.3603 Soluble
209 V Y 0.0000 Buried
210 N Y -1.7574 Soluble
211 H Y 0.0000 Buried
212 K Y -2.7613 Soluble
213 P Y -1.5917 Soluble
214 S Y -1.7929 Soluble
215 N Y -2.4877 Soluble
216 T Y -2.0038 Soluble
217 K Y -2.6473 Soluble
218 V Y -1.6435 Soluble
219 D Y -2.4704 Soluble
220 K Y -2.1048 Soluble
221 K Y -2.4132 Soluble
222 V Y 0.0000 Buried
223 E Y -2.5900 Soluble
224 P Y -1.7835 Soluble
225 K Y -2.0508 Soluble
1 D X -2.3381 Soluble
2 I X 0.0000 Buried
3 Q X -1.9587 Soluble
4 M X 0.0000 Buried
5 T X -1.1628 Soluble
6 Q X 0.0000 Buried
7 S X -0.6323 Soluble
8 P X -0.5906 Soluble
9 S X -0.8407 Soluble
10 S X -0.8873 Soluble
11 L X -0.5647 Soluble
12 S X -0.7540 Soluble
13 A X -0.9560 Soluble
14 S X -0.8534 Soluble
15 V X 0.0939 Aggregation-prone
16 G X -0.7588 Soluble
17 D X -1.8174 Soluble
18 R X -2.3033 Soluble
19 V X 0.0000 Buried
20 T X -0.6332 Soluble
21 I X 0.0000 Buried
22 T X -0.7311 Soluble
23 C X 0.0000 Buried
24 R X -1.8816 Soluble
25 A X 0.0000 Buried
26 S X -1.3178 Soluble
27 S X -0.7385 Soluble
28 S X -0.7697 Soluble
29 V X 0.0000 Buried
37 S X -0.1694 Soluble
38 Y X 0.0652 Aggregation-prone
39 L X 0.0000 Buried
40 H X 0.0000 Buried
41 W X 0.0000 Buried
42 Y X 0.0000 Buried
43 Q X 0.0000 Buried
44 Q X -1.1719 Soluble
45 K X -1.5550 Soluble
46 P X -1.3541 Soluble
47 G X -1.7765 Soluble
48 K X -2.4544 Soluble
49 A X -1.4946 Soluble
50 P X 0.0000 Buried
51 K X -1.2177 Soluble
52 P X -0.3686 Soluble
53 L X 0.0000 Buried
54 I X 0.0000 Buried
55 Y X 0.2143 Aggregation-prone
56 A X 0.0000 Buried
57 P X -0.1486 Soluble
65 S X -0.2861 Soluble
66 N X -0.3323 Soluble
67 L X 0.2611 Aggregation-prone
68 A X 0.0000 Buried
69 S X -0.4728 Soluble
70 G X -0.4958 Soluble
71 V X 0.0000 Buried
72 P X -0.3186 Soluble
74 S X -0.4336 Soluble
75 R X -0.7464 Soluble
76 F X 0.0000 Buried
77 S X -0.4039 Soluble
78 G X -0.2781 Soluble
79 S X -0.6379 Soluble
80 G X -1.0530 Soluble
83 S X -0.9363 Soluble
84 G X -1.1896 Soluble
85 T X -1.5268 Soluble
86 D X -2.3488 Soluble
87 F X 0.0000 Buried
88 T X -0.7403 Soluble
89 L X 0.0000 Buried
90 T X -0.6435 Soluble
91 I X 0.0000 Buried
92 S X -1.4040 Soluble
93 S X -1.1720 Soluble
94 L X 0.0000 Buried
95 Q X -0.8597 Soluble
96 P X -1.3906 Soluble
97 E X -1.4974 Soluble
98 D X 0.0000 Buried
99 F X 0.0000 Buried
100 A X 0.0000 Buried
101 T X 0.0000 Buried
102 Y X 0.0000 Buried
103 Y X 0.0000 Buried
104 C X 0.0000 Buried
105 Q X 0.0000 Buried
106 Q X 0.0000 Buried
107 W X 0.0000 Buried
108 A X 0.3210 Aggregation-prone
109 F X 0.1132 Aggregation-prone
114 N X -1.2797 Soluble
115 P X -1.1497 Soluble
116 P X 0.0000 Buried
117 T X -0.8241 Soluble
118 F X 0.0000 Buried
119 G X 0.0000 Buried
120 Q X -1.8325 Soluble
121 G X 0.0000 Buried
122 T X 0.0000 Buried
123 K X -1.7423 Soluble
124 V X 0.0000 Buried
125 E X -1.4379 Soluble
126 I X 0.0000 Buried
127 K X -1.3124 Soluble
128 R X -0.7014 Soluble
129 T X 0.1794 Aggregation-prone
130 V X 0.9690 Aggregation-prone
131 A X 0.2280 Aggregation-prone
132 A X -0.0031 Soluble
133 P X 0.0000 Buried
134 S X -0.2314 Soluble
135 V X 0.0000 Buried
136 F X 0.2263 Aggregation-prone
137 I X 0.1709 Aggregation-prone
138 F X 0.0000 Buried
139 P X -0.7004 Soluble
140 P X 0.0000 Buried
141 S X -1.8930 Soluble
142 D X -3.1208 Soluble
143 E X -3.2496 Soluble
144 Q X 0.0000 Buried
145 L X -2.3340 Soluble
146 K X -2.9047 Soluble
147 S X -1.8182 Soluble
148 G X -1.3138 Soluble
149 T X -1.1334 Soluble
150 A X 0.0000 Buried
151 S X 0.0000 Buried
152 V X 0.0000 Buried
153 V X 0.0000 Buried
154 C X 0.0000 Buried
155 L X 0.0000 Buried
156 L X 0.0000 Buried
157 N X -0.4791 Soluble
158 N X -1.0943 Soluble
159 F X 0.0000 Buried
160 Y X 0.0000 Buried
161 P X -1.6848 Soluble
162 R X -3.0720 Soluble
163 E X -3.2936 Soluble
164 A X -2.3347 Soluble
165 K X -2.4192 Soluble
166 V X -1.0841 Soluble
167 Q X -0.6198 Soluble
168 W X 0.0000 Buried
169 K X -0.6614 Soluble
170 V X 0.0000 Buried
171 D X -1.8445 Soluble
172 N X -1.5256 Soluble
173 A X -0.3276 Soluble
174 L X 0.6784 Aggregation-prone
175 Q X -0.3056 Soluble
176 S X -0.6246 Soluble
177 G X -1.2374 Soluble
178 N X -1.4648 Soluble
179 S X -1.4665 Soluble
180 Q X -1.6585 Soluble
181 E X -1.9550 Soluble
182 S X -0.9640 Soluble
183 V X -0.7073 Soluble
184 T X -1.1379 Soluble
185 E X -2.2461 Soluble
186 Q X 0.0000 Buried
187 D X -1.9969 Soluble
188 S X -1.9887 Soluble
189 K X -2.4012 Soluble
190 D X -1.7201 Soluble
191 S X 0.0000 Buried
192 T X 0.0000 Buried
193 Y X 0.0000 Buried
194 S X 0.0000 Buried
195 L X 0.0000 Buried
196 S X 0.0000 Buried
197 S X 0.0000 Buried
198 T X -0.7519 Soluble
199 L X 0.0000 Buried
200 T X -0.6688 Soluble
201 L X -0.9263 Soluble
202 S X -1.4225 Soluble
203 K X -2.2442 Soluble
204 A X -2.1474 Soluble
205 D X -3.1063 Soluble
206 Y X 0.0000 Buried
207 E X -3.6317 Soluble
208 K X -3.8577 Soluble
209 H X -3.1081 Soluble
210 K X -3.1785 Soluble
211 V X -1.3384 Soluble
212 Y X 0.0000 Buried
213 A X 0.0000 Buried
214 C X 0.0000 Buried
215 E X -0.9328 Soluble
216 V X 0.0000 Buried
217 T X -1.1957 Soluble
218 H X 0.0000 Buried
219 Q X -1.6940 Soluble
220 G X -0.2557 Soluble
221 L X -0.2003 Soluble
222 S X -0.4924 Soluble
223 S X -0.4029 Soluble
224 P X -0.5087 Soluble
225 V X 0.0388 Aggregation-prone
226 T X -0.4554 Soluble
227 K X -0.6573 Soluble
228 S X -0.5389 Soluble
229 F X -0.8653 Soluble
230 N X -1.7698 Soluble
231 R X -2.5048 Soluble
232 G X -1.9601 Soluble
233 E X -2.1294 Soluble
234 C X -0.8408 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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Color Legend (B-factor = A4D Score)
Score > 1.5 — highly aggregation-prone
Score 0.5–1.5 — aggregation-prone
Score ≈ 0 — buried
Score −1 to −0.5 — soluble
Score < −2.5 — highly soluble
pH Structure
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A4D Score Threshold
Highlight residues > threshold in the sequence panel
CDR Regions
HCDR1
HCDR2
HCDR3
LCDR1
LCDR2
LCDR3
Display Options

pH-Dependent Aggregation Profiles

A4D scores calculated across 11 pH conditions (4.0–9.0, step 0.5). Click a row to view the structure at that pH. The input structure is globular — max score is recommended for pH analysis.

pH Avg A4D Score Max A4D Score Downloads
4.0 -0.7466 2.1981 CSV PDB
4.5 -0.7865 2.148 CSV PDB
5.0 -0.8316 2.0828 CSV PDB
5.5 -0.8724 2.0105 CSV PDB
6.0 -0.8976 1.9356 CSV PDB
6.5 -0.8983 1.8599 CSV PDB
7.0 -0.8754 1.784 CSV PDB
7.5 -0.8377 1.7086 CSV PDB
8.0 -0.7924 1.6345 CSV PDB
8.5 -0.7415 1.588 CSV PDB
9.0 -0.6852 1.6807 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH